REMARK  Name = BDB055828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.825  -0.118  -2.451  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.366   0.238  -1.075  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        0.018  -0.079  -0.578  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1       -0.928  -0.698  -1.306  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -0.051   0.409   0.811  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        1.211   0.975   1.078  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        1.493   1.535   2.316  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.493   1.521   3.284  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -0.763   0.964   3.030  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1        0.739   2.056   4.487  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.043   0.400   1.782  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.076   0.858  -0.108  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1       -2.282  -1.047  -0.877  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -3.337  -0.151  -1.079  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -4.629  -0.486  -0.670  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.871  -1.717  -0.060  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.822  -2.615   0.140  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.530  -2.283  -0.268  0.00  0.00    +0.008 A 
ENDBRANCH   4  13
BRANCH  12  19
ATOM     19  C   LIG    1        3.472   1.387  -0.142  0.00  0.00    +0.156 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.441   0.453   0.552  0.00  0.00    +0.309 C 
ATOM     21  O   LIG    1        4.354  -0.755   0.693  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.536   1.105   1.000  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        6.080   0.394   1.400  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  12  19
TORSDOF 4